CURRICULUM VITAE

Name  François-Yves DUPRADEAU
   
Professional Address
AGIR, EA 4294 & UFR de Pharmacie Phone:  +33-(0)3-2282-7498
Université de Picardie - Jules Verne (UPJV), Fax:       +33-(0)3-2282-7469
1-3, rue des Louvels, e-mail:  fyd@q4md-forcefieldtools.org
80037 Amiens Cedex 1, France Web:  http://q4md-forcefieldtools.org/FyD/

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Present Situation

    Since Sept 2006
Professor of organic chemistry at the "UFR de Pharmacie", UPJV, Amiens,
Teaching: Organic chemistry 1st & 2nd years of University, "UFR de Pharmacie", UPJV, Amiens
Research Project: Bioinformatics and force field development: Application to molecular dynamics simulation of modified and chemically engineered biomolecules (peptides, glycoconjugates, oligonucleotides) and bioinorganic complexes.

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Professional Appointments

    1997-2006
Assistant Professor (Maître de Conférences) at the "UFR de Pharmacie", UPJV, Amiens,
Laboratory Director: Prof J. Rochette,
Research Project: Molecular modeling of proteins and nucleic acids (RESP/ESP charge and force field parameter development, molecular dynamics, free energy determination and homology modeling).
    2004-2005
Two years Research Associate at The Scripps Research Institute, La Jolla, CA,
Laboratory Director: Prof D.-A. Case,
Research Project: Study of electrostatic interactions in proteins and nucleic acids.
    1996
Post-doctoral Fellow, Laboratoire des Bio-Molécules, CNRS, Université d'Orsay, Paris XI, France),
Adviser: Prof J.-M. Beau,
Research Project: Study of a new method relevant to the reduction of azido-oligosaccharides based on a samarium diiode-water system.
    1994
16 months Post-doctoral Fellow (as part of my military obligation) in the Department of Synthetic Organic Chemistry at the "Bio-Membrane Institute" (University of Washington, Seattle, USA),
Advisers: Prof S.-i. Hakomori & Dr T. Toyokuni,
Research Project: Development of synthetic carbohydrate vaccines based on the tumor-associated Tn antigen (GalNAc-α-Ser/Thr).

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Education

    2003
Habilitation  Thesis (Université de Picardie Jules Verne, Amiens),
Laboratory Director: Prof J. Rochette
Thesis title: Total synthesis and structural study of bio-molecules.
    1993
Ph.D.  Thesis (Université d'Orsay, Paris XI),
Advisers: Prof J.-M. Beau & Dr. J. Prandi
Thesis title: Synthesis of rare sugars: application to carbohydrate fragments of Esperamicins.
    1990
D.E.A. de Chimie Organique (M. Sc. in Organic Chemistry) with honors, Université d'Orsay, Paris XI.
Advisers: Prof J.-M. Beau & Dr. J. Prandi
    1989-1988
Maîtrise (4th year of University, B. Sc., Biochemistry major), Université d'Orléans, France.
Licence (3rd year of University, Biochemistry major), Université d'Orléans.
    1987
D.E.U.G. B (1st two years of University, Biology major), Université d'Orléans.
    1985
Baccalauréat D (High School Diploma, Sciences), Lycée Pothier, Orléans.

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Professional skills

- Empirical force field development and bioinformatics.
- Molecular mechanics, molecular dynamics and quantum chemistry (DFT & WFT).
- Linux administration and knowledge in PERL, Shell, PHP, MySQL and HTML.
- Structure determination by using circular dichroism and N.M.R.
- Total synthesis: peptide, sugar, organic and asymmetric synthesis (former interests).
- Foreign language: English.

Teaching

- Organic chemistry (1st and 2nd years of university) at the "UFR de pharmacie", UPJV, Amiens.
- Molecular modeling (3rd year of university) at the "UFR de pharmacie", UPJV, Amiens.

Outside interests

Judo (black belt, 4th dan) and jogging.

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Representative publications

C. Cézard, X. Trivelli, F. Aubry, F. Djedaini-Pilard & F.-Y. Dupradeau, Molecular dynamics studies of native and substituted cyclodextrins in different media: 1. Charge derivation and force field performances, Phys. Chem. Chem. Phys. 2011, 13, 15103-15121.

E. Vanquelef, S. Simon, G. Marquant, E. Garcia, G. Klimerak, J. C. Delepine, P. Cieplak & F.-Y. Dupradeau, R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments, Nucl. Acids Res. (Web server issue) 2011, 39, W511-W517.

F.-Y. Dupradeau, A. Pigache, T. Zaffran, C. Savineau, R. Lelong, N. Grivel, D. Lelong, W. Rosanski & P. Cieplak, The R.E.D. tools: Advances in RESP and ESP charge derivation and force field library building, Phys. Chem. Chem. Phys. 2010, 12, 7821-7839.

F.-Y. Dupradeau, C. Cézard, R. Lelong, E. Stanislawiak, J. Pecher, J. C. Delepine & P. Cieplak, R.E.DD.B.: A database for RESP and ESP atomic charges, and force field libraries, Nucl. Acids Res. (Database issue) 2008, 36, D360-D367.

F.-Y. Dupradeau, D. A. Case, C. Yu, R. Jimenez & F. Romesberg, Differential Solvation and Tautomer Stability of a Model Base Pair within the Minor and Major Grooves of DNA, J. Am. Chem. Soc. 2005, 127, 15612-15617.


Full list of publications at q4md-forcefieldtools.org/FyD/Pubs.htm

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Last update of this page: June, 2019